REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3mii_1_A DATA FIRST_RESID 4 DATA SEQUENCE KRALISLTSY HGPFYKDGAK TGVFVVEILR SFDTFEKHGF EVDFVSETGG DATA SEQUENCE FGWDEHYLPK SFIGGEDKMN FETKNSAFNK ALARIKTANE VNASDYKVFF DATA SEQUENCE ASAGHGALFD YPKAKNLQDI ASKIYANGGV IAAIXHGPLL FDGLIDIKTT DATA SEQUENCE RPLIEGKAIT GFPLEGEIAL GVDDILRSRK LTTVERVANK NGAKYLAPIH DATA SEQUENCE PWDDYSITDG KLVTGVNANS SYSTTIRAIN ALYS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 4 K C 0.000 176.551 176.600 -0.081 0.000 0.988 4 K CA 0.000 56.153 56.287 -0.223 0.000 0.838 4 K CB 0.000 32.142 32.500 -0.597 0.000 1.064 5 R N 1.144 121.681 120.500 0.062 0.000 2.562 5 R HA 0.737 5.080 4.340 0.004 0.000 0.298 5 R C -0.752 175.697 176.300 0.248 0.000 0.961 5 R CA -0.967 55.206 56.100 0.120 0.000 0.881 5 R CB 2.196 32.449 30.300 -0.078 0.000 1.159 5 R HN 0.519 8.789 8.270 -0.000 0.000 0.450 6 A N 2.688 125.533 122.820 0.042 0.000 2.355 6 A HA 0.626 4.948 4.320 0.004 0.000 0.324 6 A C -1.349 176.028 177.584 -0.345 0.000 1.117 6 A CA -0.664 51.150 52.037 -0.372 0.000 0.785 6 A CB 1.346 19.485 19.000 -1.435 0.000 1.254 6 A HN 0.514 8.664 8.150 -0.000 0.000 0.453 7 L N 2.790 123.729 121.223 -0.473 0.000 2.343 7 L HA 0.626 4.968 4.340 0.004 0.000 0.278 7 L C -1.073 175.440 176.870 -0.593 0.000 0.996 7 L CA -0.180 54.263 54.840 -0.662 0.000 0.831 7 L CB 1.013 42.459 42.059 -1.022 0.000 1.232 7 L HN 0.595 8.825 8.230 -0.000 0.000 0.413 8 I N 4.179 124.490 120.570 -0.431 0.000 2.321 8 I HA 0.365 4.537 4.170 0.004 0.000 0.291 8 I C 0.229 176.289 176.117 -0.094 0.000 0.998 8 I CA -0.461 60.739 61.300 -0.166 0.000 1.227 8 I CB 1.657 39.691 38.000 0.056 0.000 1.368 8 I HN 0.715 8.925 8.210 -0.000 0.000 0.466 9 S N 7.596 123.191 115.700 -0.176 0.000 2.585 9 S HA 0.710 5.183 4.470 0.004 0.000 0.277 9 S C -0.529 174.203 174.600 0.219 0.000 1.241 9 S CA -0.784 57.415 58.200 -0.001 0.000 1.041 9 S CB 1.222 64.410 63.200 -0.019 0.000 0.987 9 S HN 0.473 8.783 8.310 -0.000 0.000 0.512 10 L N 1.730 123.077 121.223 0.206 0.000 2.330 10 L HA 0.503 4.845 4.340 0.004 0.000 0.271 10 L C 0.772 177.787 176.870 0.241 0.000 1.013 10 L CA -1.019 53.916 54.840 0.159 0.000 0.816 10 L CB 1.748 43.753 42.059 -0.090 0.000 1.287 10 L HN 0.766 8.996 8.230 -0.000 0.000 0.435 11 T N -0.299 114.274 114.554 0.032 0.000 2.928 11 T HA 0.032 4.384 4.350 0.004 0.000 0.305 11 T C 1.121 175.893 174.700 0.121 0.000 1.035 11 T CA 0.179 62.237 62.100 -0.070 0.000 1.145 11 T CB 0.657 69.359 68.868 -0.276 0.000 0.963 11 T HN 0.836 9.076 8.240 -0.000 0.000 0.545 12 S N 3.980 119.796 115.700 0.193 0.000 2.503 12 S HA 0.073 4.545 4.470 0.004 0.000 0.217 12 S C 0.462 175.207 174.600 0.241 0.000 0.999 12 S CA -0.440 57.891 58.200 0.218 0.000 0.914 12 S CB -0.363 62.960 63.200 0.204 0.000 0.782 12 S HN 0.783 9.093 8.310 -0.000 0.000 0.520 13 Y N 3.922 124.264 120.300 0.069 0.000 2.402 13 Y HA 0.327 4.880 4.550 0.005 0.000 0.333 13 Y C 0.693 176.593 175.900 -0.001 0.000 1.076 13 Y CA -0.209 57.871 58.100 -0.033 0.000 1.299 13 Y CB 0.338 38.736 38.460 -0.104 0.000 1.197 13 Y HN 0.506 8.786 8.280 -0.000 0.000 0.517 14 H N 2.568 121.250 119.070 -0.647 0.000 2.907 14 H HA 0.486 5.045 4.556 0.005 0.000 0.233 14 H C 0.261 175.205 175.328 -0.640 0.000 1.285 14 H CA -0.469 55.292 56.048 -0.480 0.000 0.981 14 H CB -0.250 29.360 29.762 -0.252 0.000 2.255 14 H HN 0.717 8.997 8.280 -0.000 0.000 0.601 15 G N 0.941 108.894 108.800 -1.411 0.000 2.532 15 G HA2 0.401 4.364 3.960 0.004 0.000 0.291 15 G HA3 0.401 4.364 3.960 0.004 0.000 0.291 15 G C -2.341 172.320 174.900 -0.397 0.000 1.349 15 G CA -2.120 42.428 45.100 -0.920 0.000 1.038 15 G HN 0.154 8.444 8.290 -0.000 0.000 0.518 16 P HA 0.146 4.566 4.420 -0.000 0.000 0.269 16 P C -0.651 176.741 177.300 0.152 0.000 1.215 16 P CA 0.252 63.359 63.100 0.012 0.000 0.780 16 P CB 1.317 33.025 31.700 0.012 0.000 0.898 17 F N 0.434 120.353 119.950 -0.052 0.000 1.781 17 F HA 0.228 4.758 4.527 0.004 0.000 0.267 17 F C -0.134 175.573 175.800 -0.154 0.000 1.142 17 F CA -0.028 57.913 58.000 -0.099 0.000 1.284 17 F CB -0.163 38.674 39.000 -0.273 0.000 1.728 17 F HN 0.058 8.358 8.300 -0.000 0.000 0.437 18 Y N 3.167 123.464 120.300 -0.005 0.000 2.457 18 Y HA 0.196 4.749 4.550 0.004 0.000 0.341 18 Y C 1.660 177.501 175.900 -0.098 0.000 1.240 18 Y CA 0.210 58.236 58.100 -0.122 0.000 1.437 18 Y CB 0.543 38.963 38.460 -0.065 0.000 1.328 18 Y HN -0.020 8.260 8.280 -0.000 0.000 0.588 19 K N 0.719 121.175 120.400 0.093 0.000 2.283 19 K HA -0.136 4.187 4.320 0.004 0.000 0.202 19 K C 0.657 177.296 176.600 0.066 0.000 1.048 19 K CA 1.332 57.644 56.287 0.041 0.000 0.948 19 K CB -0.078 32.436 32.500 0.022 0.000 0.742 19 K HN 0.739 8.989 8.250 -0.000 0.000 0.458 20 D N -0.921 119.546 120.400 0.112 0.000 2.319 20 D HA 0.023 4.666 4.640 0.004 0.000 0.230 20 D C 1.074 177.416 176.300 0.069 0.000 1.094 20 D CA 0.671 54.724 54.000 0.089 0.000 0.856 20 D CB 0.277 41.149 40.800 0.121 0.000 0.915 20 D HN 0.239 8.609 8.370 -0.000 0.000 0.517 21 G N -0.271 108.567 108.800 0.064 0.000 2.241 21 G HA2 -0.223 3.740 3.960 0.004 0.000 0.244 21 G HA3 -0.223 3.740 3.960 0.004 0.000 0.244 21 G C 0.592 175.518 174.900 0.042 0.000 0.998 21 G CA 0.158 45.284 45.100 0.044 0.000 0.621 21 G HN 0.853 9.143 8.290 -0.000 0.000 0.519 22 A N 0.446 123.285 122.820 0.033 0.000 2.462 22 A HA 0.588 4.911 4.320 0.004 0.000 0.243 22 A C 0.594 178.238 177.584 0.101 0.000 1.076 22 A CA 0.754 52.778 52.037 -0.023 0.000 0.773 22 A CB 0.290 19.096 19.000 -0.323 0.000 1.010 22 A HN 0.484 8.634 8.150 -0.000 0.000 0.493 23 K N 0.591 121.044 120.400 0.089 0.000 2.098 23 K HA 0.464 4.787 4.320 0.004 0.000 0.261 23 K C 0.410 177.135 176.600 0.208 0.000 0.987 23 K CA -0.346 56.005 56.287 0.106 0.000 0.916 23 K CB 1.402 33.908 32.500 0.009 0.000 1.039 23 K HN 0.741 8.991 8.250 -0.000 0.000 0.455 24 T N -0.512 114.129 114.554 0.146 0.000 2.888 24 T HA 0.717 5.070 4.350 0.004 0.000 0.283 24 T C 0.251 175.025 174.700 0.124 0.000 1.013 24 T CA 0.293 62.479 62.100 0.143 0.000 0.938 24 T CB 1.104 69.874 68.868 -0.163 0.000 1.298 24 T HN 0.796 9.036 8.240 -0.000 0.000 0.580 25 G N -0.289 108.590 108.800 0.131 0.000 2.591 25 G HA2 0.276 4.238 3.960 0.004 0.000 0.104 25 G HA3 0.276 4.238 3.960 0.004 0.000 0.104 25 G C -1.234 173.757 174.900 0.152 0.000 1.097 25 G CA -0.046 45.143 45.100 0.149 0.000 1.076 25 G HN 0.811 9.101 8.290 -0.000 0.000 0.485 26 V N 1.422 121.479 119.914 0.239 0.000 2.607 26 V HA 0.485 4.607 4.120 0.004 0.000 0.289 26 V C -0.287 176.066 176.094 0.431 0.000 1.053 26 V CA -0.256 62.219 62.300 0.291 0.000 0.996 26 V CB 1.419 33.431 31.823 0.316 0.000 0.995 26 V HN 0.551 8.741 8.190 -0.000 0.000 0.476 27 F N 4.220 124.218 119.950 0.079 0.000 2.375 27 F HA 0.274 4.803 4.527 0.004 0.000 0.362 27 F C 1.098 176.901 175.800 0.006 0.000 1.129 27 F CA -0.359 57.619 58.000 -0.037 0.000 1.154 27 F CB 1.462 40.319 39.000 -0.238 0.000 1.205 27 F HN 0.377 8.677 8.300 -0.000 0.000 0.513 28 V N 7.080 126.954 119.914 -0.066 0.000 2.469 28 V HA -0.247 3.876 4.120 0.004 0.000 0.251 28 V C 1.700 177.528 176.094 -0.444 0.000 1.064 28 V CA 2.263 64.377 62.300 -0.310 0.000 1.066 28 V CB -0.139 31.167 31.823 -0.862 0.000 0.667 28 V HN 0.754 8.944 8.190 -0.000 0.000 0.461 29 V N 0.146 119.582 119.914 -0.796 0.000 2.332 29 V HA -0.288 3.834 4.120 0.004 0.000 0.248 29 V C 2.421 178.275 176.094 -0.399 0.000 1.055 29 V CA 2.463 64.358 62.300 -0.675 0.000 1.038 29 V CB -0.810 30.466 31.823 -0.912 0.000 0.651 29 V HN 0.664 8.854 8.190 -0.000 0.000 0.450 30 E N 0.417 120.392 120.200 -0.376 0.000 2.070 30 E HA -0.256 4.096 4.350 0.004 0.000 0.197 30 E C 2.145 178.785 176.600 0.067 0.000 1.004 30 E CA 2.097 58.464 56.400 -0.055 0.000 0.805 30 E CB -0.341 29.398 29.700 0.065 0.000 0.744 30 E HN 0.822 9.182 8.360 -0.000 0.000 0.451 31 I N -1.391 119.244 120.570 0.109 0.000 2.500 31 I HA -0.137 4.036 4.170 0.004 0.000 0.252 31 I C 2.241 178.554 176.117 0.327 0.000 1.142 31 I CA 0.801 62.281 61.300 0.300 0.000 1.451 31 I CB -0.307 37.925 38.000 0.386 0.000 1.093 31 I HN -0.018 8.192 8.210 -0.000 0.000 0.430 32 L N 0.787 122.034 121.223 0.039 0.000 1.994 32 L HA -0.143 4.200 4.340 0.004 0.000 0.208 32 L C 3.021 179.911 176.870 0.034 0.000 1.071 32 L CA 1.347 56.098 54.840 -0.148 0.000 0.745 32 L CB -0.642 41.179 42.059 -0.396 0.000 0.892 32 L HN 0.200 8.430 8.230 -0.000 0.000 0.431 33 R N -0.670 119.828 120.500 -0.004 0.000 2.081 33 R HA -0.122 4.220 4.340 0.004 0.000 0.235 33 R C 2.505 178.825 176.300 0.034 0.000 1.131 33 R CA 1.574 57.693 56.100 0.031 0.000 0.960 33 R CB -1.164 29.149 30.300 0.022 0.000 0.856 33 R HN 0.305 8.575 8.270 -0.000 0.000 0.436 34 S N 0.286 115.970 115.700 -0.026 0.000 2.357 34 S HA -0.101 4.372 4.470 0.004 0.000 0.221 34 S C 1.802 176.404 174.600 0.003 0.000 1.031 34 S CA 0.732 58.781 58.200 -0.251 0.000 0.982 34 S CB -0.300 62.515 63.200 -0.642 0.000 0.853 34 S HN 0.310 8.620 8.310 -0.000 0.000 0.458 35 F N 2.405 122.413 119.950 0.096 0.000 2.069 35 F HA -0.135 4.396 4.527 0.005 0.000 0.298 35 F C 2.092 178.003 175.800 0.185 0.000 1.113 35 F CA 2.321 60.441 58.000 0.200 0.000 1.214 35 F CB -0.752 38.508 39.000 0.433 0.000 0.978 35 F HN 0.292 8.592 8.300 -0.000 0.000 0.474 36 D N -0.784 119.838 120.400 0.370 0.000 2.117 36 D HA -0.159 4.484 4.640 0.004 0.000 0.197 36 D C 2.093 178.474 176.300 0.134 0.000 0.987 36 D CA 1.991 56.139 54.000 0.246 0.000 0.829 36 D CB -0.294 40.636 40.800 0.218 0.000 0.961 36 D HN 0.324 8.694 8.370 -0.000 0.000 0.460 37 T N -0.546 114.062 114.554 0.091 0.000 2.777 37 T HA -0.099 4.253 4.350 0.004 0.000 0.266 37 T C 1.654 176.387 174.700 0.055 0.000 1.040 37 T CA 0.752 62.897 62.100 0.074 0.000 1.141 37 T CB -0.490 68.315 68.868 -0.104 0.000 0.868 37 T HN 0.096 8.336 8.240 -0.000 0.000 0.444 38 F N 1.867 121.760 119.950 -0.096 0.000 2.069 38 F HA -0.063 4.466 4.527 0.004 0.000 0.298 38 F C 2.575 178.406 175.800 0.053 0.000 1.113 38 F CA 1.054 58.975 58.000 -0.133 0.000 1.214 38 F CB -0.472 38.337 39.000 -0.318 0.000 0.978 38 F HN 0.204 8.504 8.300 -0.000 0.000 0.474 39 E N -0.188 120.071 120.200 0.098 0.000 2.208 39 E HA -0.169 4.184 4.350 0.004 0.000 0.193 39 E C 1.957 178.607 176.600 0.083 0.000 0.988 39 E CA 0.745 57.153 56.400 0.014 0.000 0.828 39 E CB -0.219 29.352 29.700 -0.216 0.000 0.763 39 E HN 0.432 8.792 8.360 -0.000 0.000 0.478 40 K N 0.030 120.493 120.400 0.106 0.000 2.439 40 K HA -0.067 4.256 4.320 0.004 0.000 0.197 40 K C 0.671 177.222 176.600 -0.081 0.000 1.041 40 K CA 0.659 56.961 56.287 0.026 0.000 0.970 40 K CB 0.052 32.566 32.500 0.023 0.000 0.773 40 K HN 0.146 8.396 8.250 -0.000 0.000 0.479 41 H N -1.280 117.886 119.070 0.160 0.000 2.486 41 H HA 0.189 4.748 4.556 0.004 0.000 0.284 41 H C 0.600 176.100 175.328 0.287 0.000 1.103 41 H CA 0.355 56.537 56.048 0.223 0.000 1.089 41 H CB 1.105 31.012 29.762 0.243 0.000 1.603 41 H HN 0.301 8.581 8.280 -0.000 0.000 0.557 42 G N -0.121 108.814 108.800 0.226 0.000 2.141 42 G HA2 -0.273 3.690 3.960 0.004 0.000 0.242 42 G HA3 -0.273 3.690 3.960 0.004 0.000 0.242 42 G C -0.207 174.651 174.900 -0.070 0.000 0.982 42 G CA -0.345 44.780 45.100 0.042 0.000 0.662 42 G HN 0.217 8.507 8.290 -0.000 0.000 0.527 43 F N 0.964 120.956 119.950 0.069 0.000 2.399 43 F HA 0.609 5.138 4.527 0.004 0.000 0.334 43 F C 0.564 176.309 175.800 -0.091 0.000 1.097 43 F CA -0.977 57.024 58.000 0.003 0.000 1.076 43 F CB 1.273 40.286 39.000 0.021 0.000 1.162 43 F HN -0.142 8.158 8.300 -0.000 0.000 0.495 44 E N 2.533 122.761 120.200 0.047 0.000 2.115 44 E HA 0.336 4.688 4.350 0.004 0.000 0.282 44 E C -0.854 175.707 176.600 -0.066 0.000 0.987 44 E CA -0.347 56.036 56.400 -0.028 0.000 0.797 44 E CB 1.725 31.412 29.700 -0.022 0.000 1.086 44 E HN 0.231 8.591 8.360 -0.000 0.000 0.397 45 V N 3.836 123.638 119.914 -0.186 0.000 2.427 45 V HA 0.280 4.402 4.120 0.004 0.000 0.286 45 V C 0.052 176.050 176.094 -0.160 0.000 1.034 45 V CA -0.719 61.412 62.300 -0.282 0.000 0.893 45 V CB 1.707 33.193 31.823 -0.561 0.000 0.982 45 V HN 0.476 8.666 8.190 -0.000 0.000 0.452 46 D N 2.663 122.950 120.400 -0.189 0.000 2.342 46 D HA 0.566 5.209 4.640 0.004 0.000 0.243 46 D C -0.667 175.407 176.300 -0.377 0.000 1.019 46 D CA -0.153 53.752 54.000 -0.157 0.000 0.864 46 D CB 2.152 42.996 40.800 0.073 0.000 1.315 46 D HN 0.273 8.643 8.370 -0.000 0.000 0.468 47 F N 0.187 120.118 119.950 -0.032 0.000 2.440 47 F HA 0.611 5.141 4.527 0.004 0.000 0.328 47 F C 0.424 176.167 175.800 -0.096 0.000 1.070 47 F CA -0.787 57.156 58.000 -0.095 0.000 1.011 47 F CB 1.730 40.643 39.000 -0.144 0.000 1.226 47 F HN -0.077 8.223 8.300 -0.000 0.000 0.491 48 V N 1.007 120.991 119.914 0.117 0.000 3.147 48 V HA 0.691 4.813 4.120 0.004 0.000 0.299 48 V C -1.329 174.818 176.094 0.087 0.000 1.302 48 V CA -0.300 62.038 62.300 0.062 0.000 1.015 48 V CB 2.361 34.180 31.823 -0.007 0.000 1.086 48 V HN 0.948 9.138 8.190 -0.000 0.000 0.437 49 S N 2.683 118.449 115.700 0.111 0.000 2.651 49 S HA 0.574 5.046 4.470 0.004 0.000 0.279 49 S C 0.444 175.133 174.600 0.148 0.000 1.148 49 S CA 0.189 58.482 58.200 0.155 0.000 0.837 49 S CB 1.757 65.057 63.200 0.166 0.000 1.138 49 S HN 0.894 9.204 8.310 -0.000 0.000 0.478 50 E N 0.765 121.068 120.200 0.172 0.000 2.110 50 E HA -0.093 4.260 4.350 0.004 0.000 0.193 50 E C 1.722 178.391 176.600 0.114 0.000 0.988 50 E CA 2.489 58.973 56.400 0.140 0.000 0.804 50 E CB -0.387 29.407 29.700 0.157 0.000 0.745 50 E HN 0.838 9.198 8.360 -0.000 0.000 0.458 51 T N -5.007 109.619 114.554 0.120 0.000 3.014 51 T HA 0.347 4.699 4.350 0.004 0.000 0.250 51 T C 1.583 176.333 174.700 0.085 0.000 1.060 51 T CA 0.511 62.667 62.100 0.094 0.000 1.040 51 T CB 0.567 69.490 68.868 0.092 0.000 0.971 51 T HN 0.297 8.537 8.240 -0.000 0.000 0.497 52 G N 0.500 109.361 108.800 0.102 0.000 2.195 52 G HA2 -0.014 3.949 3.960 0.004 0.000 0.246 52 G HA3 -0.014 3.949 3.960 0.004 0.000 0.246 52 G C 0.394 175.363 174.900 0.114 0.000 0.984 52 G CA -0.129 45.030 45.100 0.098 0.000 0.633 52 G HN 1.092 9.382 8.290 -0.000 0.000 0.525 53 G N -0.509 108.356 108.800 0.108 0.000 2.568 53 G HA2 1.040 5.002 3.960 0.004 0.000 0.313 53 G HA3 1.040 5.002 3.960 0.004 0.000 0.313 53 G C -0.593 174.391 174.900 0.139 0.000 1.227 53 G CA -0.381 44.751 45.100 0.054 0.000 0.979 53 G HN 1.524 9.814 8.290 -0.000 0.000 0.486 54 F N -2.409 117.384 119.950 -0.260 0.000 2.900 54 F HA 0.794 5.323 4.527 0.003 0.000 0.321 54 F C -0.323 174.961 175.800 -0.859 0.000 1.160 54 F CA -0.822 56.949 58.000 -0.382 0.000 0.890 54 F CB 1.167 39.963 39.000 -0.340 0.000 1.334 54 F HN 1.054 9.354 8.300 -0.000 0.000 0.459 55 G N -0.587 107.803 108.800 -0.683 0.000 2.704 55 G HA2 0.480 4.443 3.960 0.004 0.000 0.293 55 G HA3 0.480 4.443 3.960 0.004 0.000 0.293 55 G C -2.514 172.240 174.900 -0.244 0.000 1.421 55 G CA -1.057 43.553 45.100 -0.816 0.000 0.870 55 G HN 0.810 9.100 8.290 -0.000 0.000 0.492 56 W N 0.820 122.174 121.300 0.091 0.000 2.238 56 W HA 0.337 4.999 4.660 0.003 0.000 0.321 56 W C 0.566 177.178 176.519 0.155 0.000 1.293 56 W CA -0.687 56.756 57.345 0.163 0.000 1.204 56 W CB 0.851 30.413 29.460 0.170 0.000 1.167 56 W HN 0.364 8.544 8.180 -0.000 0.000 0.553 57 D N 2.768 123.432 120.400 0.440 0.000 2.531 57 D HA -0.114 4.529 4.640 0.004 0.000 0.239 57 D C 0.759 177.270 176.300 0.352 0.000 1.144 57 D CA 0.710 54.936 54.000 0.377 0.000 0.869 57 D CB 0.874 41.929 40.800 0.426 0.000 1.160 57 D HN 0.577 8.947 8.370 -0.000 0.000 0.484 58 E N 2.015 122.365 120.200 0.249 0.000 2.274 58 E HA -0.129 4.223 4.350 0.004 0.000 0.194 58 E C 1.055 177.730 176.600 0.124 0.000 0.996 58 E CA 0.513 57.010 56.400 0.161 0.000 0.840 58 E CB 0.108 29.861 29.700 0.088 0.000 0.772 58 E HN 0.645 9.005 8.360 -0.000 0.000 0.491 59 H N -1.770 117.263 119.070 -0.063 0.000 2.547 59 H HA 0.011 4.569 4.556 0.004 0.000 0.266 59 H C -0.106 174.900 175.328 -0.537 0.000 0.988 59 H CA 0.204 56.017 56.048 -0.392 0.000 1.147 59 H CB 0.421 29.692 29.762 -0.819 0.000 1.365 59 H HN 0.130 8.410 8.280 -0.000 0.000 0.589 60 Y N 0.337 120.701 120.300 0.108 0.000 2.577 60 Y HA 0.200 4.752 4.550 0.004 0.000 0.307 60 Y C -0.406 175.593 175.900 0.166 0.000 0.940 60 Y CA -0.591 57.472 58.100 -0.061 0.000 1.132 60 Y CB 0.239 38.408 38.460 -0.485 0.000 1.184 60 Y HN -0.013 8.267 8.280 -0.000 0.000 0.611 61 L N 2.541 123.949 121.223 0.308 0.000 2.525 61 L HA -0.024 4.318 4.340 0.004 0.000 0.278 61 L C -1.197 175.729 176.870 0.094 0.000 1.218 61 L CA -0.880 54.072 54.840 0.188 0.000 0.878 61 L CB 0.634 42.784 42.059 0.152 0.000 1.127 61 L HN 0.131 8.361 8.230 -0.000 0.000 0.492 62 P HA -0.251 4.169 4.420 -0.000 0.000 0.214 62 P C 0.978 178.124 177.300 -0.258 0.000 1.172 62 P CA 1.463 64.247 63.100 -0.527 0.000 0.925 62 P CB 0.096 31.091 31.700 -1.175 0.000 0.793 63 K N -0.602 119.700 120.400 -0.163 0.000 2.281 63 K HA -0.070 4.252 4.320 0.004 0.000 0.203 63 K C 2.172 178.736 176.600 -0.059 0.000 1.046 63 K CA 1.147 57.388 56.287 -0.077 0.000 0.938 63 K CB -1.177 31.315 32.500 -0.013 0.000 0.737 63 K HN 0.165 8.415 8.250 -0.000 0.000 0.458 64 S N -0.810 114.877 115.700 -0.021 0.000 2.496 64 S HA 0.057 4.530 4.470 0.004 0.000 0.224 64 S C 1.147 175.559 174.600 -0.314 0.000 0.996 64 S CA 0.290 58.413 58.200 -0.128 0.000 0.927 64 S CB 0.065 63.225 63.200 -0.066 0.000 0.774 64 S HN 0.266 8.576 8.310 -0.000 0.000 0.524 65 F N 0.960 120.897 119.950 -0.022 0.000 2.819 65 F HA 0.456 4.985 4.527 0.004 0.000 0.325 65 F C 0.511 176.276 175.800 -0.060 0.000 1.041 65 F CA -0.765 57.254 58.000 0.031 0.000 1.184 65 F CB 0.354 39.485 39.000 0.219 0.000 1.019 65 F HN 0.119 8.419 8.300 -0.000 0.000 0.590 66 I N -0.038 120.528 120.570 -0.005 0.000 2.441 66 I HA 0.704 4.876 4.170 0.004 0.000 0.287 66 I C 0.267 176.338 176.117 -0.078 0.000 1.049 66 I CA -0.080 61.152 61.300 -0.113 0.000 1.381 66 I CB 0.526 38.364 38.000 -0.270 0.000 1.409 66 I HN 0.071 8.281 8.210 -0.000 0.000 0.523 67 G N 2.863 111.623 108.800 -0.067 0.000 2.694 67 G HA2 0.683 4.646 3.960 0.004 0.000 0.290 67 G HA3 0.683 4.646 3.960 0.004 0.000 0.290 67 G C -0.258 174.614 174.900 -0.047 0.000 1.386 67 G CA -0.420 44.651 45.100 -0.048 0.000 0.872 67 G HN 1.312 9.602 8.290 -0.000 0.000 0.475 68 G N 0.269 109.049 108.800 -0.034 0.000 2.512 68 G HA2 -0.200 3.762 3.960 0.004 0.000 0.254 68 G HA3 -0.200 3.762 3.960 0.004 0.000 0.254 68 G C 1.053 175.939 174.900 -0.023 0.000 1.199 68 G CA 1.160 46.243 45.100 -0.028 0.000 0.941 68 G HN 1.508 9.798 8.290 -0.000 0.000 0.569 69 E N 0.522 120.711 120.200 -0.019 0.000 2.385 69 E HA 0.071 4.424 4.350 0.004 0.000 0.194 69 E C 1.596 178.189 176.600 -0.012 0.000 1.013 69 E CA 1.410 57.807 56.400 -0.006 0.000 0.866 69 E CB -0.073 29.632 29.700 0.008 0.000 0.832 69 E HN 0.597 8.957 8.360 -0.000 0.000 0.500 70 D N 1.447 121.821 120.400 -0.043 0.000 2.323 70 D HA -0.152 4.491 4.640 0.004 0.000 0.209 70 D C 1.853 178.093 176.300 -0.100 0.000 0.973 70 D CA 0.458 54.402 54.000 -0.094 0.000 0.874 70 D CB -0.034 40.679 40.800 -0.145 0.000 0.930 70 D HN 0.170 8.540 8.370 -0.000 0.000 0.521 71 K N -0.112 120.250 120.400 -0.063 0.000 2.057 71 K HA -0.095 4.227 4.320 0.004 0.000 0.206 71 K C 2.025 178.647 176.600 0.036 0.000 1.050 71 K CA 0.950 57.220 56.287 -0.029 0.000 0.935 71 K CB -0.163 32.317 32.500 -0.032 0.000 0.715 71 K HN 0.173 8.423 8.250 -0.000 0.000 0.439 72 M N 0.754 120.368 119.600 0.022 0.000 2.156 72 M HA -0.150 4.332 4.480 0.004 0.000 0.264 72 M C 1.408 177.738 176.300 0.050 0.000 1.067 72 M CA 1.391 56.714 55.300 0.038 0.000 1.131 72 M CB -0.105 32.512 32.600 0.028 0.000 1.368 72 M HN 0.158 8.448 8.290 -0.000 0.000 0.416 73 N N 0.235 118.956 118.700 0.036 0.000 2.149 73 N HA -0.186 4.557 4.740 0.004 0.000 0.188 73 N C 1.530 177.085 175.510 0.075 0.000 1.019 73 N CA 1.422 54.500 53.050 0.047 0.000 0.857 73 N CB -0.575 37.915 38.487 0.004 0.000 0.997 73 N HN 0.392 8.772 8.380 -0.000 0.000 0.426 74 F N 2.031 121.904 119.950 -0.128 0.000 2.146 74 F HA -0.037 4.493 4.527 0.005 0.000 0.298 74 F C 2.177 178.002 175.800 0.041 0.000 1.096 74 F CA 1.241 59.205 58.000 -0.059 0.000 1.275 74 F CB 0.058 38.940 39.000 -0.198 0.000 1.008 74 F HN 0.010 8.310 8.300 -0.000 0.000 0.480 75 E N -0.746 119.512 120.200 0.097 0.000 2.158 75 E HA -0.039 4.314 4.350 0.004 0.000 0.191 75 E C 0.371 176.962 176.600 -0.015 0.000 0.982 75 E CA 0.823 57.241 56.400 0.031 0.000 0.823 75 E CB -0.182 29.579 29.700 0.101 0.000 0.766 75 E HN 0.182 8.542 8.360 -0.000 0.000 0.468 76 T N 2.240 116.800 114.554 0.010 0.000 2.751 76 T HA 0.065 4.418 4.350 0.004 0.000 0.290 76 T C 0.749 175.447 174.700 -0.003 0.000 0.919 76 T CA 0.116 62.224 62.100 0.013 0.000 1.136 76 T CB 0.856 69.745 68.868 0.035 0.000 0.875 76 T HN 0.023 8.263 8.240 -0.000 0.000 0.532 77 K N 2.505 122.895 120.400 -0.016 0.000 2.147 77 K HA -0.046 4.277 4.320 0.004 0.000 0.205 77 K C 1.472 178.069 176.600 -0.006 0.000 1.049 77 K CA 0.905 57.175 56.287 -0.028 0.000 0.936 77 K CB 0.130 32.616 32.500 -0.024 0.000 0.722 77 K HN 0.370 8.620 8.250 -0.000 0.000 0.446 78 N N 0.825 119.533 118.700 0.014 0.000 2.251 78 N HA -0.004 4.738 4.740 0.004 0.000 0.217 78 N C -0.249 175.290 175.510 0.050 0.000 1.124 78 N CA 0.094 53.160 53.050 0.027 0.000 0.843 78 N CB 0.525 39.027 38.487 0.026 0.000 1.024 78 N HN 0.135 8.515 8.380 -0.000 0.000 0.501 79 S N -0.297 115.440 115.700 0.062 0.000 2.596 79 S HA 0.366 4.838 4.470 0.004 0.000 0.260 79 S C 1.598 176.274 174.600 0.127 0.000 1.336 79 S CA -0.171 58.091 58.200 0.103 0.000 0.993 79 S CB 1.399 64.673 63.200 0.124 0.000 0.923 79 S HN 0.177 8.487 8.310 -0.000 0.000 0.567 80 A N 0.913 123.852 122.820 0.197 0.000 1.933 80 A HA 0.019 4.342 4.320 0.004 0.000 0.218 80 A C 1.812 179.511 177.584 0.191 0.000 1.175 80 A CA 1.501 53.709 52.037 0.285 0.000 0.628 80 A CB -1.107 18.155 19.000 0.438 0.000 0.814 80 A HN 0.966 9.116 8.150 -0.000 0.000 0.444 81 F N 1.204 121.042 119.950 -0.187 0.000 2.134 81 F HA -0.157 4.372 4.527 0.002 0.000 0.299 81 F C 1.999 177.646 175.800 -0.254 0.000 1.097 81 F CA 1.976 59.575 58.000 -0.667 0.000 1.264 81 F CB -0.162 38.567 39.000 -0.452 0.000 1.001 81 F HN 0.188 8.488 8.300 -0.000 0.000 0.479 82 N N 0.610 119.245 118.700 -0.109 0.000 2.270 82 N HA -0.109 4.634 4.740 0.004 0.000 0.181 82 N C 1.765 177.205 175.510 -0.117 0.000 1.016 82 N CA 0.876 53.830 53.050 -0.159 0.000 0.870 82 N CB -0.229 38.234 38.487 -0.039 0.000 0.979 82 N HN 0.386 8.766 8.380 -0.000 0.000 0.431 83 K N 0.761 121.139 120.400 -0.036 0.000 2.097 83 K HA 0.006 4.329 4.320 0.004 0.000 0.206 83 K C 1.893 178.509 176.600 0.027 0.000 1.049 83 K CA 1.031 57.326 56.287 0.013 0.000 0.933 83 K CB -0.012 32.525 32.500 0.060 0.000 0.717 83 K HN 0.100 8.350 8.250 -0.000 0.000 0.442 84 A N 1.222 124.063 122.820 0.036 0.000 1.897 84 A HA -0.103 4.219 4.320 0.004 0.000 0.215 84 A C 2.068 179.761 177.584 0.181 0.000 1.181 84 A CA 0.790 52.912 52.037 0.143 0.000 0.620 84 A CB -0.405 18.739 19.000 0.240 0.000 0.821 84 A HN 0.186 8.336 8.150 -0.000 0.000 0.443 85 L N -0.137 121.038 121.223 -0.081 0.000 2.083 85 L HA -0.047 4.295 4.340 0.004 0.000 0.209 85 L C 2.625 179.446 176.870 -0.081 0.000 1.083 85 L CA 2.037 56.694 54.840 -0.304 0.000 0.752 85 L CB -0.582 41.058 42.059 -0.698 0.000 0.899 85 L HN 0.337 8.567 8.230 -0.000 0.000 0.433 86 A N -0.971 121.819 122.820 -0.049 0.000 2.015 86 A HA -0.132 4.191 4.320 0.004 0.000 0.219 86 A C 2.260 179.861 177.584 0.029 0.000 1.163 86 A CA 1.141 53.178 52.037 -0.001 0.000 0.646 86 A CB -0.467 18.526 19.000 -0.012 0.000 0.806 86 A HN 0.453 8.603 8.150 -0.000 0.000 0.448 87 R N -0.668 119.860 120.500 0.047 0.000 2.335 87 R HA 0.255 4.597 4.340 0.004 0.000 0.223 87 R C 0.155 176.508 176.300 0.089 0.000 0.940 87 R CA -0.351 55.789 56.100 0.066 0.000 1.086 87 R CB -0.394 29.950 30.300 0.073 0.000 1.073 87 R HN 0.606 8.876 8.270 -0.000 0.000 0.504 88 I N 2.336 122.963 120.570 0.097 0.000 2.906 88 I HA -0.181 3.991 4.170 0.004 0.000 0.302 88 I C -0.117 176.059 176.117 0.099 0.000 1.220 88 I CA 0.975 62.344 61.300 0.114 0.000 1.441 88 I CB 0.367 38.426 38.000 0.098 0.000 1.336 88 I HN 0.037 8.247 8.210 -0.000 0.000 0.565 89 K N 5.086 125.544 120.400 0.098 0.000 2.087 89 K HA 0.393 4.715 4.320 0.004 0.000 0.255 89 K C -0.447 176.203 176.600 0.083 0.000 0.988 89 K CA -0.671 55.667 56.287 0.085 0.000 0.915 89 K CB 1.245 33.796 32.500 0.086 0.000 1.043 89 K HN 0.512 8.762 8.250 -0.000 0.000 0.457 90 T N 1.456 116.057 114.554 0.077 0.000 2.767 90 T HA 0.169 4.522 4.350 0.004 0.000 0.288 90 T C 1.270 176.017 174.700 0.078 0.000 0.963 90 T CA -0.471 61.676 62.100 0.077 0.000 1.019 90 T CB 1.574 70.481 68.868 0.065 0.000 0.923 90 T HN 0.702 8.942 8.240 -0.000 0.000 0.468 91 A N 4.165 127.036 122.820 0.084 0.000 1.903 91 A HA -0.239 4.084 4.320 0.004 0.000 0.219 91 A C 2.203 179.832 177.584 0.075 0.000 1.191 91 A CA 2.304 54.392 52.037 0.086 0.000 0.638 91 A CB -0.778 18.278 19.000 0.093 0.000 0.823 91 A HN 0.886 9.036 8.150 -0.000 0.000 0.451 92 N N 0.081 118.820 118.700 0.065 0.000 2.453 92 N HA -0.124 4.619 4.740 0.004 0.000 0.183 92 N C 1.002 176.546 175.510 0.057 0.000 1.041 92 N CA 1.617 54.700 53.050 0.055 0.000 0.900 92 N CB -0.567 37.948 38.487 0.046 0.000 0.961 92 N HN 0.707 9.087 8.380 -0.000 0.000 0.443 93 E N -0.438 119.800 120.200 0.063 0.000 2.474 93 E HA 0.146 4.499 4.350 0.004 0.000 0.195 93 E C -0.418 176.231 176.600 0.081 0.000 1.039 93 E CA -0.168 56.270 56.400 0.064 0.000 0.881 93 E CB 0.724 30.460 29.700 0.060 0.000 0.970 93 E HN 0.088 8.448 8.360 -0.000 0.000 0.486 94 V N 2.408 122.380 119.914 0.097 0.000 2.546 94 V HA 0.059 4.182 4.120 0.004 0.000 0.284 94 V C 0.121 176.301 176.094 0.144 0.000 1.050 94 V CA -0.617 61.767 62.300 0.139 0.000 0.981 94 V CB 1.137 33.044 31.823 0.140 0.000 0.990 94 V HN 0.119 8.309 8.190 -0.000 0.000 0.474 95 N N 3.573 122.374 118.700 0.168 0.000 2.420 95 N HA 0.345 5.087 4.740 0.004 0.000 0.249 95 N C 0.751 176.384 175.510 0.204 0.000 1.033 95 N CA 0.207 53.338 53.050 0.134 0.000 0.944 95 N CB 1.664 40.195 38.487 0.073 0.000 1.113 95 N HN 0.723 9.103 8.380 -0.000 0.000 0.502 96 A N 2.595 125.522 122.820 0.179 0.000 2.019 96 A HA -0.134 4.188 4.320 0.004 0.000 0.219 96 A C 1.939 179.640 177.584 0.195 0.000 1.164 96 A CA 1.760 53.932 52.037 0.226 0.000 0.644 96 A CB -0.648 18.434 19.000 0.138 0.000 0.805 96 A HN 0.739 8.889 8.150 -0.000 0.000 0.449 97 S N -0.095 115.663 115.700 0.098 0.000 2.507 97 S HA -0.117 4.356 4.470 0.004 0.000 0.235 97 S C 1.004 175.593 174.600 -0.019 0.000 0.988 97 S CA 1.149 59.375 58.200 0.043 0.000 0.944 97 S CB -0.342 62.870 63.200 0.019 0.000 0.762 97 S HN 0.488 8.798 8.310 -0.000 0.000 0.526 98 D N 0.518 120.861 120.400 -0.094 0.000 2.269 98 D HA 0.096 4.739 4.640 0.004 0.000 0.208 98 D C -0.357 175.650 176.300 -0.489 0.000 0.963 98 D CA 0.830 54.607 54.000 -0.372 0.000 0.864 98 D CB -0.043 40.363 40.800 -0.657 0.000 0.936 98 D HN 0.540 8.910 8.370 -0.000 0.000 0.505 99 Y N -0.525 119.795 120.300 0.033 0.000 2.429 99 Y HA 0.369 4.921 4.550 0.004 0.000 0.342 99 Y C 1.332 177.266 175.900 0.057 0.000 1.004 99 Y CA -0.768 57.355 58.100 0.038 0.000 1.075 99 Y CB 1.892 40.376 38.460 0.040 0.000 1.214 99 Y HN -0.420 7.860 8.280 -0.000 0.000 0.455 100 K N 0.840 121.372 120.400 0.219 0.000 2.367 100 K HA 0.319 4.642 4.320 0.004 0.000 0.195 100 K C -0.824 175.872 176.600 0.160 0.000 1.060 100 K CA 0.360 56.746 56.287 0.164 0.000 1.022 100 K CB 0.925 33.515 32.500 0.151 0.000 0.894 100 K HN 0.319 8.569 8.250 -0.000 0.000 0.540 101 V N 1.438 121.444 119.914 0.154 0.000 2.577 101 V HA 0.326 4.448 4.120 0.004 0.000 0.303 101 V C -1.384 174.773 176.094 0.105 0.000 1.042 101 V CA -0.941 61.421 62.300 0.103 0.000 0.872 101 V CB 1.612 33.423 31.823 -0.021 0.000 0.998 101 V HN 0.021 8.211 8.190 -0.000 0.000 0.423 102 F N 5.377 125.358 119.950 0.052 0.000 2.411 102 F HA 0.694 5.224 4.527 0.005 0.000 0.352 102 F C -0.936 174.948 175.800 0.141 0.000 1.123 102 F CA -0.754 57.269 58.000 0.039 0.000 1.044 102 F CB 1.169 40.184 39.000 0.025 0.000 1.135 102 F HN 0.477 8.777 8.300 -0.000 0.000 0.461 103 F N 5.804 125.585 119.950 -0.281 0.000 2.427 103 F HA 0.688 5.218 4.527 0.005 0.000 0.348 103 F C -0.674 175.053 175.800 -0.122 0.000 1.125 103 F CA -0.715 57.269 58.000 -0.028 0.000 0.989 103 F CB 1.134 40.209 39.000 0.125 0.000 1.165 103 F HN 0.546 8.846 8.300 -0.000 0.000 0.442 104 A N 5.120 127.843 122.820 -0.161 0.000 2.478 104 A HA 0.500 4.823 4.320 0.004 0.000 0.327 104 A C -0.023 177.602 177.584 0.069 0.000 1.431 104 A CA -0.187 51.876 52.037 0.043 0.000 1.014 104 A CB -0.327 18.734 19.000 0.101 0.000 1.143 104 A HN 0.799 8.949 8.150 -0.000 0.000 0.532 105 S N 2.096 117.982 115.700 0.310 0.000 2.645 105 S HA 0.843 5.316 4.470 0.004 0.000 0.266 105 S C 0.410 175.140 174.600 0.217 0.000 1.258 105 S CA 0.164 58.559 58.200 0.324 0.000 0.990 105 S CB 1.532 64.966 63.200 0.390 0.000 0.967 105 S HN 1.773 10.083 8.310 -0.000 0.000 0.556 106 A N 0.780 123.668 122.820 0.113 0.000 4.106 106 A HA 1.029 5.351 4.320 0.004 0.000 0.175 106 A C 0.387 177.955 177.584 -0.026 0.000 0.668 106 A CA -0.359 51.656 52.037 -0.037 0.000 0.819 106 A CB 0.260 19.238 19.000 -0.037 0.000 1.738 106 A HN 2.490 10.640 8.150 -0.000 0.000 0.848 107 G N -2.719 106.014 108.800 -0.111 0.000 2.340 107 G HA2 0.281 4.244 3.960 0.004 0.000 0.527 107 G HA3 0.281 4.244 3.960 0.004 0.000 0.527 107 G C -0.337 174.338 174.900 -0.374 0.000 1.381 107 G CA 0.191 45.194 45.100 -0.162 0.000 1.001 107 G HN 1.024 9.314 8.290 -0.000 0.000 0.626 108 H N 0.191 119.000 119.070 -0.436 0.000 2.561 108 H HA 0.080 4.638 4.556 0.004 0.000 0.278 108 H C 2.570 177.571 175.328 -0.546 0.000 1.014 108 H CA 2.238 57.822 56.048 -0.773 0.000 1.211 108 H CB 0.272 29.361 29.762 -1.122 0.000 1.365 108 H HN 0.693 8.973 8.280 -0.000 0.000 0.594 109 G N 0.161 108.856 108.800 -0.174 0.000 2.422 109 G HA2 -0.244 3.719 3.960 0.004 0.000 0.218 109 G HA3 -0.244 3.719 3.960 0.004 0.000 0.218 109 G C 1.883 176.764 174.900 -0.032 0.000 1.140 109 G CA 0.579 45.713 45.100 0.057 0.000 0.775 109 G HN 0.495 8.785 8.290 -0.000 0.000 0.545 110 A N 0.480 123.118 122.820 -0.303 0.000 2.131 110 A HA 0.099 4.422 4.320 0.004 0.000 0.220 110 A C 2.292 179.723 177.584 -0.256 0.000 1.158 110 A CA 0.924 52.662 52.037 -0.499 0.000 0.665 110 A CB -0.307 18.271 19.000 -0.703 0.000 0.795 110 A HN 0.383 8.533 8.150 -0.000 0.000 0.460 111 L N -2.222 118.824 121.223 -0.294 0.000 2.265 111 L HA -0.151 4.191 4.340 0.004 0.000 0.215 111 L C 2.090 178.676 176.870 -0.473 0.000 1.117 111 L CA 1.055 55.662 54.840 -0.388 0.000 0.782 111 L CB -0.333 41.389 42.059 -0.562 0.000 0.914 111 L HN 0.465 8.695 8.230 -0.000 0.000 0.441 112 F N -0.467 119.280 119.950 -0.339 0.000 2.343 112 F HA -0.063 4.467 4.527 0.005 0.000 0.286 112 F C 2.382 178.084 175.800 -0.162 0.000 1.057 112 F CA 0.718 58.485 58.000 -0.388 0.000 1.365 112 F CB -0.273 38.132 39.000 -0.992 0.000 1.114 112 F HN 0.153 8.453 8.300 -0.000 0.000 0.545 113 D N -1.494 118.984 120.400 0.130 0.000 2.323 113 D HA -0.118 4.524 4.640 0.004 0.000 0.218 113 D C 1.871 178.324 176.300 0.255 0.000 0.973 113 D CA 0.841 54.957 54.000 0.193 0.000 0.890 113 D CB -1.054 39.894 40.800 0.246 0.000 1.011 113 D HN 0.106 8.476 8.370 -0.000 0.000 0.499 114 Y N 1.765 122.086 120.300 0.035 0.000 2.128 114 Y HA -0.028 4.525 4.550 0.004 0.000 0.284 114 Y C -0.483 175.417 175.900 0.000 0.000 1.154 114 Y CA 0.652 58.762 58.100 0.018 0.000 1.149 114 Y CB -1.892 36.563 38.460 -0.009 0.000 0.976 114 Y HN 0.156 8.436 8.280 -0.000 0.000 0.505 115 P HA -0.116 4.304 4.420 -0.000 0.000 0.225 115 P C 0.760 178.085 177.300 0.043 0.000 1.148 115 P CA 1.979 65.112 63.100 0.056 0.000 0.779 115 P CB -0.024 31.687 31.700 0.019 0.000 0.780 116 K N -1.495 118.943 120.400 0.063 0.000 2.402 116 K HA 0.314 4.636 4.320 0.004 0.000 0.204 116 K C 0.519 177.155 176.600 0.059 0.000 1.056 116 K CA -0.208 56.110 56.287 0.052 0.000 1.069 116 K CB 0.602 33.134 32.500 0.053 0.000 0.888 116 K HN -0.079 8.171 8.250 -0.000 0.000 0.546 117 A N 2.017 124.879 122.820 0.071 0.000 2.981 117 A HA 0.052 4.375 4.320 0.004 0.000 0.280 117 A C 0.827 178.420 177.584 0.015 0.000 1.797 117 A CA 0.128 52.203 52.037 0.063 0.000 1.456 117 A CB -0.296 18.752 19.000 0.080 0.000 1.057 117 A HN 0.189 8.339 8.150 -0.000 0.000 0.602 118 K N 0.607 121.019 120.400 0.020 0.000 2.147 118 K HA -0.123 4.200 4.320 0.004 0.000 0.205 118 K C 1.429 178.026 176.600 -0.004 0.000 1.049 118 K CA 1.350 57.639 56.287 0.002 0.000 0.936 118 K CB 0.012 32.518 32.500 0.010 0.000 0.722 118 K HN 0.669 8.919 8.250 -0.000 0.000 0.446 119 N N 0.824 119.533 118.700 0.016 0.000 2.171 119 N HA -0.086 4.657 4.740 0.004 0.000 0.184 119 N C 1.893 177.411 175.510 0.013 0.000 1.021 119 N CA 0.932 53.995 53.050 0.022 0.000 0.854 119 N CB -0.060 38.454 38.487 0.044 0.000 0.994 119 N HN 0.124 8.504 8.380 -0.000 0.000 0.426 120 L N 1.555 122.788 121.223 0.017 0.000 2.083 120 L HA -0.181 4.161 4.340 0.004 0.000 0.209 120 L C 2.480 179.245 176.870 -0.175 0.000 1.083 120 L CA 1.202 56.048 54.840 0.010 0.000 0.752 120 L CB -0.424 41.662 42.059 0.044 0.000 0.899 120 L HN 0.178 8.408 8.230 -0.000 0.000 0.433 121 Q N -0.275 119.431 119.800 -0.155 0.000 2.084 121 Q HA -0.261 4.082 4.340 0.004 0.000 0.202 121 Q C 1.827 177.724 176.000 -0.172 0.000 0.978 121 Q CA 1.955 57.642 55.803 -0.192 0.000 0.844 121 Q CB -0.156 28.516 28.738 -0.110 0.000 0.898 121 Q HN 0.431 8.701 8.270 -0.000 0.000 0.426 122 D N 0.466 120.807 120.400 -0.098 0.000 2.104 122 D HA -0.174 4.469 4.640 0.004 0.000 0.194 122 D C 1.652 177.909 176.300 -0.072 0.000 0.994 122 D CA 1.214 55.176 54.000 -0.063 0.000 0.830 122 D CB -0.051 40.736 40.800 -0.022 0.000 0.959 122 D HN 0.166 8.536 8.370 -0.000 0.000 0.452 123 I N 0.447 120.973 120.570 -0.074 0.000 2.127 123 I HA -0.292 3.880 4.170 0.004 0.000 0.241 123 I C 2.537 178.559 176.117 -0.157 0.000 1.075 123 I CA 1.275 62.552 61.300 -0.038 0.000 1.334 123 I CB -0.461 37.585 38.000 0.077 0.000 1.040 123 I HN 0.059 8.269 8.210 -0.000 0.000 0.405 124 A N 0.866 123.378 122.820 -0.513 0.000 1.883 124 A HA -0.244 4.079 4.320 0.004 0.000 0.217 124 A C 2.503 179.933 177.584 -0.257 0.000 1.186 124 A CA 2.460 54.084 52.037 -0.690 0.000 0.624 124 A CB -0.994 17.296 19.000 -1.184 0.000 0.822 124 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 125 S N -0.226 115.354 115.700 -0.200 0.000 2.402 125 S HA -0.147 4.326 4.470 0.004 0.000 0.229 125 S C 1.821 176.425 174.600 0.007 0.000 1.021 125 S CA 1.455 59.602 58.200 -0.087 0.000 0.974 125 S CB -0.289 62.855 63.200 -0.094 0.000 0.800 125 S HN 0.614 8.924 8.310 -0.000 0.000 0.484 126 K N 0.925 121.322 120.400 -0.006 0.000 2.062 126 K HA 0.191 4.513 4.320 0.004 0.000 0.205 126 K C 2.076 178.710 176.600 0.055 0.000 1.051 126 K CA 1.293 57.597 56.287 0.028 0.000 0.941 126 K CB -0.383 32.133 32.500 0.028 0.000 0.719 126 K HN 0.383 8.633 8.250 -0.000 0.000 0.440 127 I N 0.101 120.714 120.570 0.072 0.000 2.163 127 I HA -0.334 3.839 4.170 0.004 0.000 0.243 127 I C 2.286 178.464 176.117 0.101 0.000 1.085 127 I CA 1.478 62.842 61.300 0.107 0.000 1.347 127 I CB -0.323 37.774 38.000 0.161 0.000 1.044 127 I HN 0.159 8.369 8.210 -0.000 0.000 0.408 128 Y N 1.394 121.678 120.300 -0.028 0.000 2.224 128 Y HA -0.287 4.266 4.550 0.004 0.000 0.289 128 Y C 2.559 178.438 175.900 -0.035 0.000 1.146 128 Y CA 1.509 59.584 58.100 -0.041 0.000 1.182 128 Y CB -0.173 38.237 38.460 -0.084 0.000 0.983 128 Y HN 0.139 8.419 8.280 -0.000 0.000 0.524 129 A N 0.377 123.248 122.820 0.085 0.000 1.902 129 A HA -0.220 4.102 4.320 0.004 0.000 0.217 129 A C 1.794 179.354 177.584 -0.040 0.000 1.181 129 A CA 1.894 53.941 52.037 0.018 0.000 0.623 129 A CB -0.653 18.369 19.000 0.036 0.000 0.818 129 A HN 0.558 8.708 8.150 -0.000 0.000 0.443 130 N N -0.640 118.046 118.700 -0.024 0.000 2.521 130 N HA 0.135 4.877 4.740 0.004 0.000 0.188 130 N C 1.019 176.495 175.510 -0.057 0.000 1.146 130 N CA 1.069 54.103 53.050 -0.027 0.000 0.893 130 N CB 0.290 38.778 38.487 0.003 0.000 0.975 130 N HN 0.714 9.094 8.380 -0.000 0.000 0.451 131 G N -0.732 107.995 108.800 -0.121 0.000 2.134 131 G HA2 -0.177 3.785 3.960 0.004 0.000 0.209 131 G HA3 -0.177 3.785 3.960 0.004 0.000 0.209 131 G C 0.467 175.290 174.900 -0.128 0.000 0.993 131 G CA -0.089 44.918 45.100 -0.155 0.000 0.669 131 G HN 0.605 8.895 8.290 -0.000 0.000 0.519 132 G N -1.315 107.432 108.800 -0.088 0.000 2.543 132 G HA2 0.654 4.616 3.960 0.004 0.000 0.290 132 G HA3 0.654 4.616 3.960 0.004 0.000 0.290 132 G C -0.130 174.768 174.900 -0.003 0.000 1.310 132 G CA 0.005 45.098 45.100 -0.012 0.000 1.025 132 G HN 0.923 9.213 8.290 -0.000 0.000 0.502 133 V N 0.277 120.241 119.914 0.084 0.000 2.483 133 V HA 0.394 4.516 4.120 0.004 0.000 0.295 133 V C -0.100 176.135 176.094 0.234 0.000 1.035 133 V CA -0.458 61.926 62.300 0.140 0.000 0.896 133 V CB 1.554 33.429 31.823 0.087 0.000 0.986 133 V HN 0.473 8.663 8.190 -0.000 0.000 0.447 134 I N 4.057 124.786 120.570 0.265 0.000 2.339 134 I HA 0.707 4.880 4.170 0.004 0.000 0.290 134 I C 0.251 176.485 176.117 0.195 0.000 0.994 134 I CA -0.259 61.178 61.300 0.228 0.000 1.191 134 I CB 1.603 39.631 38.000 0.047 0.000 1.343 134 I HN 0.703 8.913 8.210 -0.000 0.000 0.458 135 A N 5.398 128.346 122.820 0.213 0.000 2.374 135 A HA 0.982 5.305 4.320 0.004 0.000 0.317 135 A C -0.913 176.580 177.584 -0.152 0.000 1.094 135 A CA -0.531 51.530 52.037 0.041 0.000 0.765 135 A CB 1.771 20.806 19.000 0.059 0.000 1.268 135 A HN 0.811 8.961 8.150 -0.000 0.000 0.438 136 A N 1.343 124.023 122.820 -0.234 0.000 2.540 136 A HA 0.702 5.024 4.320 0.004 0.000 0.297 136 A C -0.561 176.861 177.584 -0.270 0.000 1.056 136 A CA -0.266 51.585 52.037 -0.310 0.000 0.700 136 A CB 0.593 19.459 19.000 -0.223 0.000 1.280 136 A HN 1.755 9.905 8.150 -0.000 0.000 0.398 140 G N 2.047 110.863 108.800 0.027 0.000 2.505 140 G HA2 -0.228 3.735 3.960 0.004 0.000 0.220 140 G HA3 -0.228 3.735 3.960 0.004 0.000 0.220 140 G C -0.846 173.918 174.900 -0.228 0.000 1.145 140 G CA 1.100 46.238 45.100 0.064 0.000 0.761 140 G HN 0.264 8.554 8.290 -0.000 0.000 0.571 141 P HA -0.006 4.414 4.420 -0.000 0.000 0.229 141 P C 1.819 178.757 177.300 -0.603 0.000 1.150 141 P CA 0.385 62.882 63.100 -1.005 0.000 0.765 141 P CB -0.083 31.388 31.700 -0.382 0.000 0.783 142 L N -1.671 119.428 121.223 -0.207 0.000 2.191 142 L HA -0.141 4.202 4.340 0.004 0.000 0.212 142 L C 2.096 178.949 176.870 -0.028 0.000 1.103 142 L CA 0.900 55.714 54.840 -0.043 0.000 0.769 142 L CB -0.838 41.252 42.059 0.053 0.000 0.908 142 L HN 0.069 8.299 8.230 -0.000 0.000 0.438 143 L N -0.624 120.531 121.223 -0.112 0.000 2.353 143 L HA -0.175 4.168 4.340 0.004 0.000 0.220 143 L C 2.069 178.943 176.870 0.006 0.000 1.133 143 L CA 1.481 56.223 54.840 -0.163 0.000 0.798 143 L CB -0.407 41.401 42.059 -0.419 0.000 0.922 143 L HN 0.040 8.270 8.230 -0.000 0.000 0.445 144 F N -1.062 118.850 119.950 -0.064 0.000 2.502 144 F HA 0.038 4.568 4.527 0.004 0.000 0.298 144 F C 1.051 176.809 175.800 -0.069 0.000 1.111 144 F CA -0.426 57.521 58.000 -0.089 0.000 1.445 144 F CB -1.173 37.783 39.000 -0.074 0.000 1.081 144 F HN 0.105 8.405 8.300 -0.000 0.000 0.558 145 D N -0.032 120.439 120.400 0.118 0.000 2.348 145 D HA 0.379 5.021 4.640 0.004 0.000 0.259 145 D C 1.169 177.487 176.300 0.030 0.000 1.296 145 D CA 1.080 55.115 54.000 0.058 0.000 0.931 145 D CB -0.119 40.701 40.800 0.034 0.000 1.067 145 D HN 0.404 8.774 8.370 -0.000 0.000 0.503 146 G N 3.131 111.941 108.800 0.016 0.000 2.179 146 G HA2 -0.249 3.714 3.960 0.004 0.000 0.220 146 G HA3 -0.249 3.714 3.960 0.004 0.000 0.220 146 G C 0.167 175.054 174.900 -0.021 0.000 0.990 146 G CA -0.051 45.047 45.100 -0.004 0.000 0.646 146 G HN 0.560 8.850 8.290 -0.000 0.000 0.517 147 L N 2.442 123.653 121.223 -0.020 0.000 2.433 147 L HA 0.587 4.930 4.340 0.004 0.000 0.275 147 L C 0.110 176.922 176.870 -0.097 0.000 1.128 147 L CA -0.476 54.325 54.840 -0.066 0.000 0.875 147 L CB 0.192 42.214 42.059 -0.062 0.000 1.171 147 L HN 0.122 8.352 8.230 -0.000 0.000 0.463 148 I N 4.354 124.869 120.570 -0.090 0.000 2.412 148 I HA 0.242 4.414 4.170 0.004 0.000 0.296 148 I C -0.028 176.042 176.117 -0.078 0.000 0.987 148 I CA -0.603 60.653 61.300 -0.074 0.000 1.180 148 I CB 1.457 39.430 38.000 -0.046 0.000 1.340 148 I HN 0.550 8.760 8.210 -0.000 0.000 0.455 149 D N 6.130 126.491 120.400 -0.064 0.000 2.358 149 D HA 0.063 4.706 4.640 0.004 0.000 0.258 149 D C 1.409 177.703 176.300 -0.009 0.000 1.223 149 D CA -0.235 53.751 54.000 -0.024 0.000 0.886 149 D CB 0.927 41.722 40.800 -0.009 0.000 1.120 149 D HN 0.224 8.594 8.370 -0.000 0.000 0.482 150 I N 4.177 124.749 120.570 0.002 0.000 2.194 150 I HA -0.316 3.856 4.170 0.004 0.000 0.246 150 I C 1.998 178.116 176.117 0.002 0.000 1.093 150 I CA 1.392 62.692 61.300 0.001 0.000 1.355 150 I CB -0.684 37.320 38.000 0.007 0.000 1.046 150 I HN 0.456 8.666 8.210 -0.000 0.000 0.413 151 K N 0.438 120.843 120.400 0.008 0.000 2.057 151 K HA -0.106 4.216 4.320 0.004 0.000 0.206 151 K C 1.983 178.583 176.600 0.001 0.000 1.050 151 K CA 2.005 58.295 56.287 0.005 0.000 0.935 151 K CB -0.272 32.232 32.500 0.007 0.000 0.715 151 K HN 0.518 8.768 8.250 -0.000 0.000 0.439 152 T N -3.754 110.800 114.554 -0.000 0.000 3.014 152 T HA 0.047 4.400 4.350 0.004 0.000 0.250 152 T C 1.171 175.866 174.700 -0.008 0.000 1.060 152 T CA 0.695 62.793 62.100 -0.004 0.000 1.040 152 T CB 0.348 69.213 68.868 -0.004 0.000 0.971 152 T HN 0.141 8.381 8.240 -0.000 0.000 0.497 153 T N 0.710 115.257 114.554 -0.011 0.000 7.679 153 T HA -0.190 4.163 4.350 0.004 0.000 0.300 153 T C 0.343 175.031 174.700 -0.020 0.000 2.098 153 T CA 1.080 63.172 62.100 -0.015 0.000 3.313 153 T CB -1.304 67.558 68.868 -0.010 0.000 1.898 153 T HN 0.672 8.912 8.240 -0.000 0.000 1.144 154 R N 1.423 121.910 120.500 -0.022 0.000 2.637 154 R HA 0.414 4.756 4.340 0.004 0.000 0.269 154 R C -2.566 173.709 176.300 -0.043 0.000 1.089 154 R CA -1.736 54.348 56.100 -0.027 0.000 1.177 154 R CB 0.176 30.462 30.300 -0.023 0.000 1.091 154 R HN 0.170 8.440 8.270 -0.000 0.000 0.540 155 P HA -0.084 4.336 4.420 -0.000 0.000 0.264 155 P C 0.369 177.601 177.300 -0.113 0.000 1.193 155 P CA 0.388 63.446 63.100 -0.070 0.000 0.763 155 P CB 0.463 32.132 31.700 -0.052 0.000 0.810 156 L N 4.710 125.827 121.223 -0.177 0.000 2.127 156 L HA -0.131 4.211 4.340 0.004 0.000 0.211 156 L C 1.613 178.283 176.870 -0.334 0.000 1.089 156 L CA 1.550 56.218 54.840 -0.286 0.000 0.757 156 L CB -0.294 41.502 42.059 -0.438 0.000 0.899 156 L HN 0.411 8.641 8.230 -0.000 0.000 0.434 157 I N -3.211 117.177 120.570 -0.303 0.000 3.875 157 I HA 0.115 4.288 4.170 0.004 0.000 0.329 157 I C 0.778 176.814 176.117 -0.136 0.000 1.295 157 I CA -0.365 60.766 61.300 -0.282 0.000 1.129 157 I CB -0.405 37.396 38.000 -0.330 0.000 1.008 157 I HN 0.114 8.324 8.210 -0.000 0.000 0.413 158 E N 2.240 122.379 120.200 -0.100 0.000 2.417 158 E HA 0.229 4.582 4.350 0.004 0.000 0.261 158 E C 1.335 177.910 176.600 -0.043 0.000 1.000 158 E CA 0.952 57.320 56.400 -0.054 0.000 0.919 158 E CB 0.241 29.916 29.700 -0.042 0.000 0.955 158 E HN 0.579 8.939 8.360 -0.000 0.000 0.455 159 G N 3.802 112.586 108.800 -0.027 0.000 2.184 159 G HA2 -0.244 3.719 3.960 0.004 0.000 0.264 159 G HA3 -0.244 3.719 3.960 0.004 0.000 0.264 159 G C 0.058 174.945 174.900 -0.021 0.000 0.975 159 G CA 0.294 45.383 45.100 -0.018 0.000 0.642 159 G HN 0.458 8.748 8.290 -0.000 0.000 0.536 160 K N 0.283 120.662 120.400 -0.034 0.000 2.095 160 K HA 0.767 5.090 4.320 0.004 0.000 0.252 160 K C 0.286 176.874 176.600 -0.019 0.000 0.977 160 K CA 0.125 56.389 56.287 -0.038 0.000 0.900 160 K CB 1.732 34.182 32.500 -0.083 0.000 1.060 160 K HN 0.610 8.860 8.250 -0.000 0.000 0.449 161 A N 2.593 125.401 122.820 -0.020 0.000 2.292 161 A HA 0.657 4.979 4.320 0.004 0.000 0.319 161 A C -0.050 177.529 177.584 -0.009 0.000 1.206 161 A CA -0.722 51.306 52.037 -0.013 0.000 0.835 161 A CB -0.043 18.941 19.000 -0.027 0.000 1.164 161 A HN 0.734 8.884 8.150 -0.000 0.000 0.505 162 I N -0.927 119.656 120.570 0.021 0.000 2.934 162 I HA 0.854 5.027 4.170 0.004 0.000 0.306 162 I C -0.268 175.842 176.117 -0.012 0.000 1.110 162 I CA -0.566 60.768 61.300 0.058 0.000 1.019 162 I CB 2.226 40.340 38.000 0.191 0.000 1.227 162 I HN 0.478 8.688 8.210 -0.000 0.000 0.434 163 T N 1.242 115.798 114.554 0.003 0.000 2.807 163 T HA 0.958 5.311 4.350 0.004 0.000 0.277 163 T C -0.347 174.465 174.700 0.187 0.000 1.006 163 T CA -0.109 61.964 62.100 -0.046 0.000 1.006 163 T CB 1.611 70.458 68.868 -0.035 0.000 1.274 163 T HN 1.392 9.632 8.240 -0.000 0.000 0.569 164 G N 0.147 109.111 108.800 0.272 0.000 2.341 164 G HA2 0.279 4.241 3.960 0.004 0.000 0.293 164 G HA3 0.279 4.241 3.960 0.004 0.000 0.293 164 G C -1.610 173.448 174.900 0.264 0.000 1.298 164 G CA -0.987 44.260 45.100 0.245 0.000 0.868 164 G HN 0.708 8.998 8.290 -0.000 0.000 0.540 165 F N 3.406 123.307 119.950 -0.082 0.000 2.557 165 F HA 0.394 4.924 4.527 0.005 0.000 0.384 165 F C -1.044 174.699 175.800 -0.095 0.000 1.057 165 F CA -0.788 57.114 58.000 -0.163 0.000 1.169 165 F CB 0.884 39.574 39.000 -0.518 0.000 1.070 165 F HN 0.236 8.536 8.300 -0.000 0.000 0.554 166 P HA -0.019 4.401 4.420 -0.000 0.000 0.276 166 P C 0.524 177.636 177.300 -0.313 0.000 1.244 166 P CA -0.391 62.551 63.100 -0.264 0.000 0.801 166 P CB 1.328 32.915 31.700 -0.189 0.000 1.006 167 L N 2.155 123.272 121.223 -0.178 0.000 2.079 167 L HA -0.196 4.146 4.340 0.004 0.000 0.210 167 L C 2.395 179.228 176.870 -0.061 0.000 1.081 167 L CA 2.088 56.880 54.840 -0.081 0.000 0.752 167 L CB -1.426 40.595 42.059 -0.063 0.000 0.896 167 L HN 0.562 8.792 8.230 -0.000 0.000 0.433 168 E N -1.432 118.710 120.200 -0.096 0.000 2.209 168 E HA -0.166 4.186 4.350 0.004 0.000 0.196 168 E C 2.041 178.609 176.600 -0.053 0.000 0.993 168 E CA 1.128 57.493 56.400 -0.059 0.000 0.819 168 E CB -0.868 28.792 29.700 -0.067 0.000 0.745 168 E HN 0.501 8.861 8.360 -0.000 0.000 0.477 169 G N 1.282 109.947 108.800 -0.226 0.000 2.402 169 G HA2 -0.235 3.728 3.960 0.004 0.000 0.216 169 G HA3 -0.235 3.728 3.960 0.004 0.000 0.216 169 G C 1.516 176.557 174.900 0.236 0.000 1.162 169 G CA 0.630 45.594 45.100 -0.227 0.000 0.777 169 G HN 0.161 8.451 8.290 -0.000 0.000 0.539 170 E N 0.529 120.892 120.200 0.273 0.000 2.106 170 E HA -0.048 4.304 4.350 0.004 0.000 0.192 170 E C 2.588 179.343 176.600 0.259 0.000 0.984 170 E CA 0.468 57.118 56.400 0.416 0.000 0.806 170 E CB -0.171 29.755 29.700 0.377 0.000 0.750 170 E HN 0.513 8.873 8.360 -0.000 0.000 0.458 171 I N 1.378 122.046 120.570 0.162 0.000 2.226 171 I HA -0.243 3.929 4.170 0.004 0.000 0.245 171 I C 2.564 178.765 176.117 0.140 0.000 1.100 171 I CA 1.090 62.463 61.300 0.122 0.000 1.374 171 I CB -0.373 37.674 38.000 0.078 0.000 1.057 171 I HN -0.007 8.203 8.210 -0.000 0.000 0.413 172 A N 0.807 123.726 122.820 0.165 0.000 1.940 172 A HA -0.147 4.176 4.320 0.004 0.000 0.219 172 A C 2.231 179.937 177.584 0.203 0.000 1.176 172 A CA 1.462 53.611 52.037 0.187 0.000 0.631 172 A CB -0.810 18.334 19.000 0.240 0.000 0.814 172 A HN 0.432 8.582 8.150 -0.000 0.000 0.446 173 L N -1.350 120.031 121.223 0.263 0.000 2.478 173 L HA 0.146 4.489 4.340 0.004 0.000 0.223 173 L C 1.659 178.652 176.870 0.205 0.000 1.140 173 L CA 0.517 55.519 54.840 0.271 0.000 0.842 173 L CB -0.345 41.950 42.059 0.392 0.000 0.953 173 L HN 0.593 8.823 8.230 -0.000 0.000 0.452 174 G N 0.468 109.370 108.800 0.169 0.000 2.160 174 G HA2 -0.257 3.705 3.960 0.004 0.000 0.244 174 G HA3 -0.257 3.705 3.960 0.004 0.000 0.244 174 G C 0.635 175.597 174.900 0.105 0.000 1.022 174 G CA 0.397 45.567 45.100 0.117 0.000 0.741 174 G HN 0.335 8.625 8.290 -0.000 0.000 0.508 175 V N -2.080 117.917 119.914 0.138 0.000 3.528 175 V HA 0.264 4.386 4.120 0.004 0.000 0.294 175 V C 1.886 178.024 176.094 0.072 0.000 1.404 175 V CA 1.172 63.516 62.300 0.074 0.000 1.065 175 V CB 0.400 32.303 31.823 0.134 0.000 0.904 175 V HN 0.389 8.579 8.190 -0.000 0.000 0.435 176 D N 2.046 122.506 120.400 0.100 0.000 2.219 176 D HA -0.275 4.368 4.640 0.004 0.000 0.205 176 D C 1.451 177.769 176.300 0.029 0.000 0.970 176 D CA 1.719 55.768 54.000 0.082 0.000 0.851 176 D CB -0.283 40.564 40.800 0.079 0.000 0.943 176 D HN 0.662 9.032 8.370 -0.000 0.000 0.488 177 D N 1.596 122.000 120.400 0.006 0.000 2.149 177 D HA -0.140 4.503 4.640 0.004 0.000 0.201 177 D C 2.473 178.740 176.300 -0.055 0.000 0.972 177 D CA 0.325 54.314 54.000 -0.019 0.000 0.835 177 D CB -0.580 40.210 40.800 -0.017 0.000 0.966 177 D HN 0.345 8.715 8.370 -0.000 0.000 0.476 178 I N 0.752 121.258 120.570 -0.108 0.000 2.286 178 I HA -0.224 3.948 4.170 0.004 0.000 0.248 178 I C 2.640 178.683 176.117 -0.123 0.000 1.115 178 I CA 0.638 61.815 61.300 -0.205 0.000 1.392 178 I CB -0.239 37.448 38.000 -0.521 0.000 1.065 178 I HN -0.070 8.140 8.210 -0.000 0.000 0.418 179 L N 0.138 121.335 121.223 -0.043 0.000 2.083 179 L HA -0.212 4.130 4.340 0.004 0.000 0.209 179 L C 2.738 179.589 176.870 -0.031 0.000 1.083 179 L CA 1.450 56.287 54.840 -0.005 0.000 0.752 179 L CB -0.531 41.558 42.059 0.049 0.000 0.899 179 L HN 0.154 8.384 8.230 -0.000 0.000 0.433 180 R N -0.704 119.781 120.500 -0.026 0.000 2.073 180 R HA -0.062 4.281 4.340 0.004 0.000 0.229 180 R C 2.584 178.865 176.300 -0.032 0.000 1.120 180 R CA 1.337 57.422 56.100 -0.025 0.000 0.967 180 R CB -0.184 30.106 30.300 -0.017 0.000 0.862 180 R HN 0.175 8.445 8.270 -0.000 0.000 0.436 181 S N 0.378 116.055 115.700 -0.039 0.000 2.368 181 S HA -0.096 4.376 4.470 0.004 0.000 0.225 181 S C 1.471 176.053 174.600 -0.029 0.000 1.030 181 S CA 1.261 59.440 58.200 -0.035 0.000 0.999 181 S CB -0.056 63.116 63.200 -0.046 0.000 0.844 181 S HN 0.320 8.630 8.310 -0.000 0.000 0.459 182 R N 0.709 121.185 120.500 -0.040 0.000 2.359 182 R HA 0.251 4.594 4.340 0.004 0.000 0.231 182 R C -0.323 175.935 176.300 -0.070 0.000 0.913 182 R CA -0.058 56.026 56.100 -0.027 0.000 1.075 182 R CB 0.018 30.324 30.300 0.010 0.000 1.087 182 R HN 0.223 8.493 8.270 -0.000 0.000 0.515 183 K N 1.339 121.700 120.400 -0.065 0.000 3.257 183 K HA -0.175 4.147 4.320 0.004 0.000 0.270 183 K C -0.675 175.855 176.600 -0.117 0.000 0.984 183 K CA 0.422 56.666 56.287 -0.071 0.000 0.739 183 K CB -1.457 31.013 32.500 -0.050 0.000 1.351 183 K HN 0.245 8.495 8.250 -0.000 0.000 0.463 184 L N -0.893 120.248 121.223 -0.138 0.000 2.358 184 L HA 0.480 4.823 4.340 0.004 0.000 0.268 184 L C 1.023 177.836 176.870 -0.096 0.000 1.032 184 L CA -0.766 53.962 54.840 -0.186 0.000 0.805 184 L CB 1.644 43.547 42.059 -0.260 0.000 1.253 184 L HN 0.104 8.334 8.230 -0.000 0.000 0.452 185 T N -0.815 113.686 114.554 -0.087 0.000 2.844 185 T HA 0.623 4.975 4.350 0.004 0.000 0.274 185 T C -0.370 174.330 174.700 -0.000 0.000 0.991 185 T CA -0.251 61.824 62.100 -0.042 0.000 0.983 185 T CB 1.561 70.402 68.868 -0.046 0.000 1.310 185 T HN 0.823 9.063 8.240 -0.000 0.000 0.596 186 T N -1.073 113.472 114.554 -0.014 0.000 2.930 186 T HA 0.516 4.868 4.350 0.004 0.000 0.290 186 T C 1.278 175.935 174.700 -0.071 0.000 1.052 186 T CA -0.672 61.417 62.100 -0.019 0.000 1.017 186 T CB 1.052 69.874 68.868 -0.075 0.000 1.137 186 T HN 0.221 8.461 8.240 -0.000 0.000 0.511 187 V N 0.844 120.690 119.914 -0.112 0.000 2.343 187 V HA -0.142 3.981 4.120 0.004 0.000 0.247 187 V C 2.816 178.774 176.094 -0.227 0.000 1.051 187 V CA 2.391 64.615 62.300 -0.128 0.000 1.036 187 V CB -0.894 30.880 31.823 -0.082 0.000 0.654 187 V HN 1.082 9.272 8.190 -0.000 0.000 0.451 188 E N 0.083 119.964 120.200 -0.531 0.000 2.085 188 E HA -0.267 4.085 4.350 0.004 0.000 0.194 188 E C 2.477 178.966 176.600 -0.185 0.000 0.994 188 E CA 1.493 57.562 56.400 -0.551 0.000 0.801 188 E CB -0.071 29.220 29.700 -0.681 0.000 0.743 188 E HN 0.516 8.876 8.360 -0.000 0.000 0.453 189 R N -0.093 120.324 120.500 -0.139 0.000 2.081 189 R HA -0.116 4.226 4.340 0.004 0.000 0.235 189 R C 2.487 178.768 176.300 -0.031 0.000 1.131 189 R CA 1.399 57.460 56.100 -0.065 0.000 0.960 189 R CB -0.285 29.983 30.300 -0.054 0.000 0.856 189 R HN 0.147 8.417 8.270 -0.000 0.000 0.436 190 V N 1.072 120.972 119.914 -0.024 0.000 2.407 190 V HA -0.247 3.875 4.120 0.004 0.000 0.248 190 V C 2.461 178.584 176.094 0.049 0.000 1.055 190 V CA 1.888 64.198 62.300 0.017 0.000 1.049 190 V CB -0.696 31.144 31.823 0.028 0.000 0.662 190 V HN 0.400 8.590 8.190 -0.000 0.000 0.455 191 A N 0.700 123.554 122.820 0.058 0.000 1.865 191 A HA -0.240 4.082 4.320 0.004 0.000 0.217 191 A C 2.067 179.686 177.584 0.058 0.000 1.191 191 A CA 2.171 54.265 52.037 0.094 0.000 0.623 191 A CB -0.694 18.402 19.000 0.159 0.000 0.826 191 A HN 0.587 8.737 8.150 -0.000 0.000 0.444 192 N N -0.389 118.333 118.700 0.036 0.000 2.244 192 N HA -0.124 4.619 4.740 0.004 0.000 0.183 192 N C 1.604 177.122 175.510 0.014 0.000 1.016 192 N CA 1.465 54.529 53.050 0.024 0.000 0.866 192 N CB -0.322 38.173 38.487 0.013 0.000 0.980 192 N HN 0.662 9.042 8.380 -0.000 0.000 0.430 193 K N 0.664 121.070 120.400 0.011 0.000 2.148 193 K HA 0.066 4.388 4.320 0.004 0.000 0.204 193 K C 0.529 177.134 176.600 0.008 0.000 1.050 193 K CA 0.875 57.166 56.287 0.006 0.000 0.942 193 K CB 0.193 32.696 32.500 0.004 0.000 0.724 193 K HN 0.107 8.357 8.250 -0.000 0.000 0.446 194 N N -0.432 118.276 118.700 0.014 0.000 2.273 194 N HA 0.068 4.811 4.740 0.004 0.000 0.231 194 N C 0.101 175.610 175.510 -0.002 0.000 1.134 194 N CA 0.715 53.768 53.050 0.006 0.000 0.856 194 N CB 1.488 39.984 38.487 0.014 0.000 1.068 194 N HN 0.392 8.772 8.380 -0.000 0.000 0.510 195 G N 0.603 109.405 108.800 0.004 0.000 2.162 195 G HA2 -0.292 3.671 3.960 0.004 0.000 0.260 195 G HA3 -0.292 3.671 3.960 0.004 0.000 0.260 195 G C 0.282 175.184 174.900 0.004 0.000 0.976 195 G CA 0.441 45.541 45.100 0.001 0.000 0.655 195 G HN 0.582 8.872 8.290 -0.000 0.000 0.533 196 A N -0.510 122.319 122.820 0.016 0.000 2.264 196 A HA 0.785 5.107 4.320 0.004 0.000 0.304 196 A C 0.378 177.993 177.584 0.051 0.000 1.100 196 A CA 0.271 52.323 52.037 0.025 0.000 0.839 196 A CB 0.838 19.859 19.000 0.035 0.000 1.121 196 A HN 0.625 8.775 8.150 -0.000 0.000 0.496 197 K N 0.383 120.813 120.400 0.052 0.000 2.185 197 K HA 0.416 4.739 4.320 0.004 0.000 0.269 197 K C -1.678 174.988 176.600 0.111 0.000 0.987 197 K CA -0.352 55.977 56.287 0.069 0.000 0.865 197 K CB 0.859 33.379 32.500 0.032 0.000 1.090 197 K HN 0.678 8.928 8.250 -0.000 0.000 0.450 198 Y N 5.383 125.693 120.300 0.017 0.000 2.326 198 Y HA 0.363 4.916 4.550 0.004 0.000 0.337 198 Y C -1.314 174.601 175.900 0.025 0.000 1.023 198 Y CA -0.689 57.425 58.100 0.024 0.000 1.143 198 Y CB 0.744 39.214 38.460 0.017 0.000 1.183 198 Y HN 0.434 8.714 8.280 -0.000 0.000 0.485 199 L N 6.882 127.716 121.223 -0.648 0.000 2.305 199 L HA 0.715 5.058 4.340 0.004 0.000 0.284 199 L C -0.201 176.275 176.870 -0.657 0.000 1.013 199 L CA -1.015 53.556 54.840 -0.449 0.000 0.819 199 L CB 1.515 43.484 42.059 -0.150 0.000 1.227 199 L HN 0.784 9.014 8.230 -0.000 0.000 0.417 200 A N 5.553 128.112 122.820 -0.435 0.000 2.304 200 A HA 0.808 5.130 4.320 0.004 0.000 0.301 200 A C -2.308 174.993 177.584 -0.471 0.000 1.132 200 A CA -1.294 50.539 52.037 -0.340 0.000 0.819 200 A CB 0.232 19.167 19.000 -0.108 0.000 1.094 200 A HN 0.461 8.611 8.150 -0.000 0.000 0.492 201 P HA 0.286 4.706 4.420 -0.000 0.000 0.276 201 P C 0.680 177.617 177.300 -0.605 0.000 1.261 201 P CA -0.422 62.154 63.100 -0.873 0.000 0.800 201 P CB 0.668 32.053 31.700 -0.524 0.000 1.066 202 I N -0.032 120.154 120.570 -0.639 0.000 2.179 202 I HA -0.160 4.012 4.170 0.004 0.000 0.242 202 I C 0.789 176.426 176.117 -0.799 0.000 1.088 202 I CA 1.474 62.383 61.300 -0.651 0.000 1.357 202 I CB -0.573 37.025 38.000 -0.671 0.000 1.051 202 I HN 0.407 8.617 8.210 -0.000 0.000 0.409 203 H N -0.926 117.802 119.070 -0.571 0.000 2.690 203 H HA 0.218 4.777 4.556 0.004 0.000 0.368 203 H C -1.926 172.935 175.328 -0.779 0.000 1.150 203 H CA -1.900 53.599 56.048 -0.914 0.000 1.174 203 H CB 1.464 30.233 29.762 -1.655 0.000 1.684 203 H HN -0.260 8.020 8.280 -0.000 0.000 0.538 204 P HA -0.141 4.279 4.420 -0.000 0.000 0.225 204 P C 0.364 177.713 177.300 0.081 0.000 1.148 204 P CA 1.031 64.001 63.100 -0.217 0.000 0.779 204 P CB 0.018 31.657 31.700 -0.102 0.000 0.780 205 W N -1.866 119.535 121.300 0.168 0.000 3.278 205 W HA 0.331 4.994 4.660 0.004 0.000 0.308 205 W C -0.492 176.130 176.519 0.171 0.000 1.253 205 W CA -0.498 56.959 57.345 0.187 0.000 1.759 205 W CB -1.005 28.547 29.460 0.154 0.000 1.093 205 W HN -0.282 7.898 8.180 -0.000 0.000 0.648 206 D N 1.858 122.267 120.400 0.014 0.000 2.362 206 D HA -0.047 4.595 4.640 0.004 0.000 0.242 206 D C -0.386 176.018 176.300 0.174 0.000 1.132 206 D CA 0.173 54.221 54.000 0.081 0.000 0.907 206 D CB 0.780 41.541 40.800 -0.063 0.000 1.195 206 D HN -0.092 8.278 8.370 -0.000 0.000 0.429 207 D N 1.295 121.810 120.400 0.192 0.000 2.383 207 D HA 0.051 4.694 4.640 0.004 0.000 0.245 207 D C -1.334 175.102 176.300 0.227 0.000 1.263 207 D CA 0.041 54.158 54.000 0.194 0.000 0.936 207 D CB -0.610 40.293 40.800 0.172 0.000 1.053 207 D HN 0.280 8.650 8.370 -0.000 0.000 0.507 208 Y N 1.994 122.320 120.300 0.043 0.000 2.421 208 Y HA 0.456 5.009 4.550 0.004 0.000 0.339 208 Y C -0.978 174.925 175.900 0.005 0.000 0.996 208 Y CA -0.502 57.600 58.100 0.004 0.000 1.046 208 Y CB 1.672 40.110 38.460 -0.037 0.000 1.226 208 Y HN 0.215 8.495 8.280 -0.000 0.000 0.445 209 S N 5.594 121.009 115.700 -0.474 0.000 2.564 209 S HA 0.703 5.176 4.470 0.004 0.000 0.274 209 S C -1.788 172.548 174.600 -0.439 0.000 1.124 209 S CA -0.642 57.361 58.200 -0.329 0.000 0.869 209 S CB 1.541 64.647 63.200 -0.155 0.000 1.105 209 S HN 0.459 8.769 8.310 -0.000 0.000 0.472 210 I N 2.130 122.543 120.570 -0.262 0.000 2.569 210 I HA 0.356 4.529 4.170 0.004 0.000 0.290 210 I C -0.496 175.555 176.117 -0.110 0.000 1.088 210 I CA -0.384 60.793 61.300 -0.205 0.000 1.047 210 I CB 1.770 39.664 38.000 -0.177 0.000 1.237 210 I HN 0.472 8.682 8.210 -0.000 0.000 0.421 211 T N 3.932 118.431 114.554 -0.091 0.000 2.756 211 T HA 0.267 4.620 4.350 0.004 0.000 0.290 211 T C -0.427 174.248 174.700 -0.041 0.000 0.985 211 T CA -0.252 61.816 62.100 -0.053 0.000 0.955 211 T CB 1.121 69.961 68.868 -0.047 0.000 0.930 211 T HN 0.420 8.660 8.240 -0.000 0.000 0.451 212 D N 2.592 122.977 120.400 -0.026 0.000 2.432 212 D HA 0.497 5.140 4.640 0.004 0.000 0.265 212 D C 1.042 177.345 176.300 0.005 0.000 1.160 212 D CA 0.537 54.526 54.000 -0.017 0.000 0.911 212 D CB 0.126 40.911 40.800 -0.024 0.000 1.052 212 D HN 0.748 9.118 8.370 -0.000 0.000 0.508 213 G N 4.375 113.176 108.800 0.002 0.000 2.557 213 G HA2 -0.319 3.643 3.960 0.004 0.000 0.292 213 G HA3 -0.319 3.643 3.960 0.004 0.000 0.292 213 G C 0.607 175.514 174.900 0.013 0.000 1.162 213 G CA 0.297 45.401 45.100 0.007 0.000 0.964 213 G HN 0.483 8.773 8.290 -0.000 0.000 0.541 214 K N -0.143 120.282 120.400 0.042 0.000 2.455 214 K HA 0.480 4.802 4.320 0.004 0.000 0.206 214 K C -0.178 176.541 176.600 0.199 0.000 1.027 214 K CA -0.276 56.047 56.287 0.060 0.000 1.113 214 K CB 0.600 33.057 32.500 -0.071 0.000 0.850 214 K HN 0.267 8.517 8.250 -0.000 0.000 0.503 215 L N 1.339 122.650 121.223 0.146 0.000 2.298 215 L HA 0.331 4.673 4.340 0.004 0.000 0.284 215 L C -1.121 175.761 176.870 0.020 0.000 1.013 215 L CA -0.641 54.228 54.840 0.048 0.000 0.824 215 L CB 1.454 43.455 42.059 -0.097 0.000 1.221 215 L HN -0.239 7.991 8.230 -0.000 0.000 0.418 216 V N 3.781 123.720 119.914 0.042 0.000 2.487 216 V HA 0.726 4.849 4.120 0.004 0.000 0.298 216 V C -0.017 176.100 176.094 0.039 0.000 1.028 216 V CA -0.297 62.018 62.300 0.024 0.000 0.860 216 V CB 1.999 33.833 31.823 0.018 0.000 0.991 216 V HN 0.870 9.060 8.190 -0.000 0.000 0.427 217 T N 1.170 115.734 114.554 0.017 0.000 2.906 217 T HA 0.917 5.270 4.350 0.004 0.000 0.295 217 T C -0.178 174.514 174.700 -0.014 0.000 1.075 217 T CA -0.554 61.562 62.100 0.027 0.000 1.005 217 T CB 2.217 71.145 68.868 0.100 0.000 1.136 217 T HN 1.033 9.273 8.240 -0.000 0.000 0.498 218 G N -0.151 108.653 108.800 0.007 0.000 2.660 218 G HA2 0.534 4.496 3.960 0.004 0.000 0.294 218 G HA3 0.534 4.496 3.960 0.004 0.000 0.294 218 G C 0.185 175.143 174.900 0.097 0.000 1.369 218 G CA -0.701 44.423 45.100 0.040 0.000 0.912 218 G HN 0.675 8.965 8.290 -0.000 0.000 0.479 219 V N 0.520 120.526 119.914 0.153 0.000 2.535 219 V HA 0.117 4.239 4.120 0.004 0.000 0.246 219 V C 0.953 177.200 176.094 0.256 0.000 1.045 219 V CA 1.907 64.332 62.300 0.207 0.000 1.058 219 V CB -0.939 31.012 31.823 0.212 0.000 0.689 219 V HN 0.899 9.089 8.190 -0.000 0.000 0.461 220 N N -2.316 116.516 118.700 0.221 0.000 3.378 220 N HA 0.428 5.170 4.740 0.004 0.000 0.294 220 N C 0.372 175.999 175.510 0.195 0.000 1.544 220 N CA -0.018 53.167 53.050 0.224 0.000 0.872 220 N CB 0.787 39.461 38.487 0.312 0.000 1.670 220 N HN -0.098 8.282 8.380 -0.000 0.000 0.551 221 A N -0.287 122.655 122.820 0.203 0.000 1.933 221 A HA -0.130 4.193 4.320 0.004 0.000 0.218 221 A C 1.365 179.032 177.584 0.139 0.000 1.175 221 A CA 1.522 53.639 52.037 0.134 0.000 0.628 221 A CB -1.029 17.994 19.000 0.038 0.000 0.814 221 A HN 0.641 8.791 8.150 -0.000 0.000 0.444 222 N N 0.352 119.167 118.700 0.191 0.000 2.519 222 N HA -0.060 4.683 4.740 0.004 0.000 0.186 222 N C 1.125 176.744 175.510 0.181 0.000 1.062 222 N CA 1.327 54.489 53.050 0.186 0.000 0.910 222 N CB -0.176 38.450 38.487 0.232 0.000 0.958 222 N HN 0.438 8.818 8.380 -0.000 0.000 0.445 223 S N -1.294 114.515 115.700 0.183 0.000 2.540 223 S HA 0.091 4.563 4.470 0.004 0.000 0.218 223 S C 1.754 176.454 174.600 0.166 0.000 0.977 223 S CA -0.313 57.987 58.200 0.168 0.000 0.918 223 S CB 0.486 63.780 63.200 0.157 0.000 0.806 223 S HN 0.241 8.551 8.310 -0.000 0.000 0.496 224 S N 1.290 117.098 115.700 0.181 0.000 2.356 224 S HA -0.183 4.290 4.470 0.004 0.000 0.223 224 S C 1.709 176.381 174.600 0.120 0.000 1.032 224 S CA 1.310 59.633 58.200 0.205 0.000 1.005 224 S CB -0.447 62.848 63.200 0.158 0.000 0.867 224 S HN 0.663 8.973 8.310 -0.000 0.000 0.449 225 Y N 1.963 122.260 120.300 -0.006 0.000 2.097 225 Y HA -0.107 4.445 4.550 0.004 0.000 0.282 225 Y C 2.571 178.429 175.900 -0.071 0.000 1.152 225 Y CA 2.142 60.205 58.100 -0.061 0.000 1.136 225 Y CB -0.859 37.584 38.460 -0.028 0.000 0.975 225 Y HN 0.284 8.564 8.280 -0.000 0.000 0.498 226 S N -0.541 115.139 115.700 -0.034 0.000 2.382 226 S HA -0.176 4.296 4.470 0.004 0.000 0.228 226 S C 1.853 176.355 174.600 -0.162 0.000 1.027 226 S CA 1.706 59.828 58.200 -0.132 0.000 0.991 226 S CB -0.586 62.640 63.200 0.043 0.000 0.823 226 S HN 0.610 8.920 8.310 -0.000 0.000 0.469 227 T N 1.704 116.227 114.554 -0.051 0.000 2.867 227 T HA -0.053 4.300 4.350 0.004 0.000 0.268 227 T C 1.972 176.660 174.700 -0.020 0.000 1.057 227 T CA 1.472 63.576 62.100 0.006 0.000 1.136 227 T CB -0.485 68.453 68.868 0.117 0.000 0.874 227 T HN 0.410 8.650 8.240 -0.000 0.000 0.466 228 T N 2.434 116.887 114.554 -0.169 0.000 2.812 228 T HA 0.044 4.397 4.350 0.004 0.000 0.264 228 T C 1.953 176.289 174.700 -0.607 0.000 1.042 228 T CA 0.538 62.320 62.100 -0.529 0.000 1.140 228 T CB -0.197 68.136 68.868 -0.892 0.000 0.870 228 T HN 0.198 8.438 8.240 -0.000 0.000 0.445 229 I N 1.567 121.778 120.570 -0.597 0.000 2.163 229 I HA -0.127 4.045 4.170 0.004 0.000 0.243 229 I C 2.549 178.484 176.117 -0.303 0.000 1.085 229 I CA 1.448 62.430 61.300 -0.531 0.000 1.347 229 I CB -0.974 36.681 38.000 -0.575 0.000 1.044 229 I HN 0.243 8.453 8.210 -0.000 0.000 0.408 230 R N 0.573 120.938 120.500 -0.224 0.000 2.091 230 R HA -0.155 4.188 4.340 0.004 0.000 0.238 230 R C 2.365 178.606 176.300 -0.100 0.000 1.136 230 R CA 1.614 57.637 56.100 -0.128 0.000 0.959 230 R CB -0.370 29.872 30.300 -0.096 0.000 0.856 230 R HN 0.384 8.654 8.270 -0.000 0.000 0.437 231 A N 1.116 123.872 122.820 -0.106 0.000 1.902 231 A HA -0.149 4.174 4.320 0.004 0.000 0.217 231 A C 2.136 179.664 177.584 -0.094 0.000 1.181 231 A CA 1.263 53.273 52.037 -0.046 0.000 0.623 231 A CB -0.425 18.609 19.000 0.056 0.000 0.818 231 A HN 0.181 8.331 8.150 -0.000 0.000 0.443 232 I N 0.085 120.552 120.570 -0.173 0.000 2.202 232 I HA -0.247 3.926 4.170 0.004 0.000 0.242 232 I C 2.121 178.217 176.117 -0.036 0.000 1.091 232 I CA 1.199 62.434 61.300 -0.108 0.000 1.368 232 I CB -0.512 37.438 38.000 -0.082 0.000 1.058 232 I HN 0.261 8.471 8.210 -0.000 0.000 0.410 233 N N 1.351 120.045 118.700 -0.009 0.000 2.104 233 N HA -0.180 4.562 4.740 0.004 0.000 0.190 233 N C 1.895 177.419 175.510 0.022 0.000 1.024 233 N CA 1.776 54.860 53.050 0.056 0.000 0.853 233 N CB -0.549 37.943 38.487 0.009 0.000 1.008 233 N HN 0.391 8.771 8.380 -0.000 0.000 0.424 234 A N 0.806 123.606 122.820 -0.033 0.000 1.972 234 A HA -0.067 4.255 4.320 0.004 0.000 0.219 234 A C 2.215 179.757 177.584 -0.070 0.000 1.169 234 A CA 0.857 52.873 52.037 -0.034 0.000 0.635 234 A CB -0.649 18.336 19.000 -0.025 0.000 0.810 234 A HN 0.240 8.390 8.150 -0.000 0.000 0.446 235 L N -1.402 119.719 121.223 -0.170 0.000 2.131 235 L HA -0.116 4.227 4.340 0.004 0.000 0.210 235 L C 1.743 178.446 176.870 -0.279 0.000 1.092 235 L CA 1.778 56.447 54.840 -0.285 0.000 0.759 235 L CB -0.549 41.239 42.059 -0.452 0.000 0.903 235 L HN 0.532 8.762 8.230 -0.000 0.000 0.435 236 Y N -1.270 119.068 120.300 0.064 0.000 2.468 236 Y HA 0.253 4.805 4.550 0.004 0.000 0.268 236 Y C 1.611 177.525 175.900 0.022 0.000 1.177 236 Y CA -0.201 57.926 58.100 0.044 0.000 1.265 236 Y CB -0.224 38.268 38.460 0.053 0.000 1.103 236 Y HN 0.211 8.491 8.280 -0.000 0.000 0.522 237 S N 0.000 115.761 115.700 0.102 0.000 2.498 237 S HA 0.000 4.473 4.470 0.004 0.000 0.327 237 S CA 0.000 58.236 58.200 0.060 0.000 1.107 237 S CB 0.000 63.217 63.200 0.028 0.000 0.593 237 S HN 0.000 8.310 8.310 -0.000 0.000 0.517